Sebacic Acid

Sebacic Acid

SCHEMBL11230503

O=C(O)CCCCCCCCC(=O)O.O=C(O)c1ccc(C(=O)O)c2c1CCCC2.O=C(O)c1cccc(C(=O)O)c1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
RXRA P19793 5/20 0.42
RXRB P28702 4/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
RXRG P48443 3/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PPARA Q07869 3/20 0.39
PPARG P37231 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Isophthalic Acid SCHEMBL381642 0.88 KDM4E (0.49) RXRARXRBMRGPRX4KDM4E
Sebacic Acid SCHEMBL382438 0.88 LMNA (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
Isophthalic Acid SCHEMBL1537969 0.86 KMO (0.47) RXRARXRBMRGPRX4KDM4EFABP4
Adipic Acid SCHEMBL382796 0.86 CYP1A2 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
Isophthalic Acid SCHEMBL2468458 0.85 RXRA (0.50) RXRARXRBMRGPRX4RXRGSMN1; SMN2
Azelaic Acid SCHEMBL10980744 0.83 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
Azelaic Acid SCHEMBL10982150 0.83 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
Isophthalic Acid SCHEMBL10399350 0.83 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
Octanedioate SCHEMBL29093966 0.83 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
Sebacic Acid SCHEMBL344766 0.83 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4318837-A BLEND OF SATURATED POLYESTER, UNDATURATED POLYESTER AND POLYISOCYANATE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1982-03-09 US disclosed
US-4204987-A Aqueous polyester dispersion for adhering vinyl film to wood THE GOODYEAR TIRE & RUBBER COMPANY (US) 1980-05-27 US disclosed